QIMRES Research notes
Methods, decisions, and interpretation boundaries.
Short, practical documentation for building workflows that can be inspected, repeated, and adapted to a new problem.
Current notes
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Preparing structures before a docking run
A docking result is only as interpretable as its inputs. Start with chemistry, missing structure, protonation, and controls.
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Make sequence-pipeline decisions visible
Record why sequences enter, change, pass, or leave a workflow so the final candidate set can be audited and adapted.
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Read docking scores together with controls
A score is a model output, not a binding claim. Interpret rankings alongside poses, controls, and the limits of the protocol.